SCHEMBL7800697

SCHEMBL7800697

CCOc1cc(C2=NN(Cc3ccc(C(=O)NC4CCCC4)cc3)C(=O)SC2CC)ccc1OC

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 10/20 0.52
PDE4B Q07343 10/20 0.52
PDE4C Q08493 10/20 0.52
PDE4D Q08499 10/20 0.52
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
SSTR5 P35346 3/20 0.43
NPC1 O15118 1/20 0.43
TLR8 Q9NR97 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
ATM Q13315 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7798641 0.95 PDE4D (0.57) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL7800731 0.94 PDE4D (0.51) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL7801812 0.92 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL7802694 0.92 PDE4D (0.51) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL7800589 0.90 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL7798599 0.90 PDE4D (0.50) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL7800669 0.89 PDE4D (0.50) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL7802879 0.89 PDE4D (0.50) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL7800610 0.87 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL7800705 0.87 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DNPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0723962-B1 Arylalkyl-thiadiazinones MERCK PATENT GMBH (DE) 2001-07-04 EP disclosed
US-6025354-A Arylalkyl-thiadiazinones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-02-15 US disclosed
US-5747489-A Arylalkyl-thiadiazinones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-05-05 US disclosed
EP-0723962-A1 Arylalkyl-thiadiazinones MERCK PATENT GmbH (DE) 1996-07-31 EP disclosed